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Home > Pyridines > 160047-56-3
160047-56-3 | 2(1H)-Pyridinone, 4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-
CAS No: 160047-56-3 Catalog No: AG001RN5 MDL No:MFCD20274930
Product Description
Catalog Number:
AG001RN5
Chemical Name:
2(1H)-Pyridinone, 4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-
CAS Number:
160047-56-3
Molecular Formula:
C28H39NO4
Molecular Weight:
453.6136
MDL Number:
MFCD20274930
IUPAC Name:
3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
InChI:
InChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+/t17-,18+,19+,24-,27+/m0/s1
InChI Key:
FVYDVAOTXPELMH-SPRAOHHPSA-N
SMILES:
CC[C@@H](C[C@H](/C=C(/[C@@H]1O[C@@H](CC[C@H]1C)c1c(O)c(cn(c1=O)C)c1ccc(cc1)O)\C)C)C
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
1
Exact Mass:
453.288g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.623g/mol
Monoisotopic Mass:
453.288g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Biomimetic conversion of (-)-fusoxypyridone and (-)-oxysporidinone to (-)-sambutoxin: further evidence for the structure of the tricyclic pyridone alkaloid, (-)-fusoxypyridone. | Bioorganic & medicinal chemistry letters 20110415 |
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